N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

C15H16N6O — CID 123821958

IUPACN-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESN#CCC(NC(=O)c1cn[nH]c1Nc1cccnc1)C1CC1
InChIInChI=1S/C15H16N6O/c16-6-5-13(10-3-4-10)20-15(22)12-9-18-21-14(12)19-11-2-1-7-17-8-11/h1-2,7-10,13H,3-5H2,(H,20,22)(H2,18,19,21)
InChIKeySPVDTYAUUJBEQH-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.97
Rot. Bonds6

About N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide

N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (PubChem CID 123821958) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
PubChem CID123821958
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC NameN-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
SMILESN#CCC(NC(=O)c1cn[nH]c1Nc1cccnc1)C1CC1
InChIInChI=1S/C15H16N6O/c16-6-5-13(10-3-4-10)20-15(22)12-9-18-21-14(12)19-11-2-1-7-17-8-11/h1-2,7-10,13H,3-5H2,(H,20,22)(H2,18,19,21)
InChIKeySPVDTYAUUJBEQH-UHFFFAOYSA-N
XLogP1.97
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide (CID 123821958) is N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is N#CCC(NC(=O)c1cn[nH]c1Nc1cccnc1)C1CC1.
What is the InChIKey of N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is SPVDTYAUUJBEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c16-6-5-13(10-3-4-10)20-15(22)12-9-18-21-14(12)19-11-2-1-7-17-8-11/h1-2,7-10,13H,3-5H2,(H,20,22)(H2,18,19,21).
What are the key properties of N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide?
N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-1-cyclopropylethyl)-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 123821958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).